SCHEMBL1664348

SCHEMBL1664348

CCCCCC(CCC)CC1(C(=O)O)C2CC(C3OC32)C1(C)C(=O)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
KCNH2 Q12809 1/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
SIRT2 Q8IXJ6 7/20 0.34
SIRT1 Q96EB6 5/20 0.34
LMNA P02545 1/20 0.34
SIRT3 Q9NTG7 4/20 0.34
CETP P11597 3/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1663446 0.85 ALDH1A1 (0.38) BLMPMP22CYP2D6TSHRCHRM2
SCHEMBL1663428 0.83 ALDH1A1 (0.35) TSHRPRSS1PRSS2PRSS3SIRT2
SCHEMBL2014071 0.83 CTSL (0.35) TSHRPRSS1PRSS2PRSS3SIRT2
SCHEMBL2940788 0.75 SIRT2 (0.32) TSHRSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL16344715 0.72 MME (0.41) TSHRPRSS1PRSS2PRSS3SIRT2
SCHEMBL1664495 0.71 CETP (0.34) TSHRPRSS1PRSS2PRSS3SIRT2
SCHEMBL1666894 0.71 ALDH1A1 (0.33) TSHRPRSS1PRSS2PRSS3SIRT2
SCHEMBL1665095 0.70 ADAM17 (0.34) TSHRPRSS1PRSS2PRSS3SIRT2
SCHEMBL1663429 0.70 PRSS1 (0.40) BLMPMP22CYP2D6TSHRCHRM2
SCHEMBL1664908 0.69 CETP (0.35) TSHRPRSS1PRSS2PRSS3SIRT2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011071674-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2011-06-16 WO disclosed
EP-2307476-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2011-04-13 EP disclosed
WO-2009152068-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2009-12-17 WO disclosed